SCHEMBL4746072

SCHEMBL4746072

CCNC(=O)Nc1nc2ccc(C(=O)OCC)cc2s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.77
RAB9A P51151 9/20 0.77
SMN1; SMN2 Q16637 9/20 0.77
STAT1 P42224 1/20 0.77
KDM4E B2RXH2 3/20 0.72
ALDH1A1 P00352 3/20 0.72
HPGD P15428 2/20 0.66
TP53 P04637 2/20 0.66
HSD17B10 Q99714 2/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
MAPT P10636 2/20 0.65
ALPL P05186 1/20 0.65
GAA P10253 1/20 0.65
USP2 O75604 1/20 0.64
ABL1 P00519 6/20 0.61
ACP1 P24666 1/20 0.60
PIK3CA P42336 2/20 0.58
PIK3CG P48736 2/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6057541 0.87 NPC1 (1.00) NPC1RAB9ASMN1; SMN2STAT1KDM4E
SCHEMBL6057496 0.86 NPC1 (0.73) NPC1RAB9ASMN1; SMN2STAT1KDM4E
SCHEMBL4746047 0.85 ABL1 (0.70) NPC1RAB9ASMN1; SMN2STAT1HSD17B10
SCHEMBL6068142 0.85 GSK3B (0.67) NPC1RAB9ASMN1; SMN2STAT1ABL1
SCHEMBL6068319 0.84 DYRK1A (0.70) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL18585932 0.84 NPC1 (0.77) NPC1RAB9ASMN1; SMN2STAT1KDM4E
SCHEMBL14808429 0.84 SMN1; SMN2 (0.77) NPC1RAB9ASMN1; SMN2STAT1KDM4E
SCHEMBL11303998 0.84 NPC1 (0.80) NPC1RAB9ASMN1; SMN2STAT1KDM4E
SCHEMBL351612 0.84 NPC1 (0.69) NPC1RAB9ASMN1; SMN2STAT1KDM4E
SCHEMBL14189671 0.83 ABL1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124393-A1 BENZOTHIAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-10-16 WO disclosed
WO-2008124393-A1 BENZOTHIAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-10-16 WO disclosed
US-7091227-B2 Benzothiazole derivatives ABBOTT GMBH & CO. KG (DE) 2006-08-15 US disclosed
US-20030153568-A1 Benzothiazole derivatives BASF AKTIENGESELLSCHAFT LUDWIGSHAFEN, GERMANY 2003-08-14 US disclosed
EP-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP disclosed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030153568-A1 Benzothiazole derivatives TK1, FLT1, CDK1 NPC1 3594/4885RAB9A 3285/4885SMN1; SMN2 4285/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.